3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole

C16H18F3N3O — CID 129068377

IUPAC3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole
SMILESCCc1cc(N2CC(F)(F)CC2c2cc(F)ccc2OC)n[nH]1
InChIInChI=1S/C16H18F3N3O/c1-3-11-7-15(21-20-11)22-9-16(18,19)8-13(22)12-6-10(17)4-5-14(12)23-2/h4-7,13H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyIPRWJTIRSHQZHI-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.71
Rot. Bonds4

About 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole

3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole (PubChem CID 129068377) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole.

Molecular Properties

Compound Name3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole
PubChem CID129068377
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole
SMILESCCc1cc(N2CC(F)(F)CC2c2cc(F)ccc2OC)n[nH]1
InChIInChI=1S/C16H18F3N3O/c1-3-11-7-15(21-20-11)22-9-16(18,19)8-13(22)12-6-10(17)4-5-14(12)23-2/h4-7,13H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyIPRWJTIRSHQZHI-UHFFFAOYSA-N
XLogP3.71
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 13582897
Cyclopentyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 6411203
5-(3-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 54594703
5-(2-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 54594813
3-(2-Methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 127038923
(Z)-N-Ethyl-N'-[3-(2-methoxyphenyl)-1H-pyrazol-5-YL](methylsulfanyl)methanimidamide
CID 45106413
1-(5-cyclopropyl-1H-pyrazol-3-yl)-N-(2,3-difluoro-6-methoxybenzyl)-N-methylmethanamine
CID 77090424
5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 3332847
5-[3-[(4-methoxyphenyl)methylamino]cyclopentyl]-N-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10113509
5-(2-difluoromethoxy-phenyl)-2H-pyrazol-3-ylamine
CID 24707350
N-[(2-methoxyphenyl)methyl]-2-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 58907083
N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173748

Frequently Asked Questions

What is the IUPAC name of 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole?
The IUPAC name of 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole (CID 129068377) is 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole.
What is the SMILES notation for 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole?
The canonical SMILES for 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole is CCc1cc(N2CC(F)(F)CC2c2cc(F)ccc2OC)n[nH]1.
What is the InChIKey of 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole?
The InChIKey is IPRWJTIRSHQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-3-11-7-15(21-20-11)22-9-16(18,19)8-13(22)12-6-10(17)4-5-14(12)23-2/h4-7,13H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole?
3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole has a molecular weight of 325.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,4-difluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidin-1-yl]-5-ethyl-1H-pyrazole is sourced from PubChem (CID 129068377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).